[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H22N2O3/c19-12-14-7-6-8-15(11-14)18(22)23-13-17(21)20-16-9-4-2-1-3-5-10-16/h6-8,11,16H,1-5,9-10,13H2,(H,20,21)